ethane;4-propan-2-yl-1,3-oxazolidin-2-one

C8H17NO2 — CID 143133628

IUPACethane;4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC.CC(C)C1COC(=O)N1
InChIInChI=1S/C6H11NO2.C2H6/c1-4(2)5-3-9-6(8)7-5;1-2/h4-5H,3H2,1-2H3,(H,7,8);1-2H3
InChIKeyRPUDDVGXIIRUPE-UHFFFAOYSA-N
MW159.23 g/mol
LogP1.78
Rot. Bonds1

About ethane;4-propan-2-yl-1,3-oxazolidin-2-one

ethane;4-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 143133628) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is ethane;4-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Nameethane;4-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID143133628
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Nameethane;4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC.CC(C)C1COC(=O)N1
InChIInChI=1S/C6H11NO2.C2H6/c1-4(2)5-3-9-6(8)7-5;1-2/h4-5H,3H2,1-2H3,(H,7,8);1-2H3
InChIKeyRPUDDVGXIIRUPE-UHFFFAOYSA-N
XLogP1.78
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(1R)-1-fluoroethyl]-1,3-oxazolidin-2-one
CID 139507497
(4S)-4-[(1S,2R)-1,2-dihydroxy-3-methylbutyl]-1,3-oxazolidin-2-one
CID 130978098
4-propan-2-yl-1,3-oxazolidine-2-thione
CID 3468453
(4R)-4-(1-chlorobutyl)-1,3-oxazolidin-2-one
CID 101398831
(4R)-4-(2-methylpropyl)-1,3-oxazolidin-2-one
CID 2734862
(5S,14S)-5,14-di(propan-2-yl)-3,16-dioxa-21,22-dithia-6,13-diazatricyclo[16.2.1.18,11]docosa-1(20),8,10,18-tetraene-2,7,12,17-tetrone
CID 11167500
ethane;4-ethyl-1,3-oxazolidin-2-one
CID 143842145
(4R)-4-[(R)-(4-hydroxyphenyl)-phenylmethyl]-1,3-oxazolidin-2-one
CID 141261165
2-cyclopenta-2,4-dien-1-ylidene-4-propan-2-yl-1,3-oxazolidine
CID 15368063
4-methyl-1,3-oxazolidin-2-one;molecular hydrogen
CID 143507654
(5S)-3-methoxy-5-propan-2-ylmorpholin-2-one
CID 10797303
4-methylsulfanyl-1,3-oxazolidin-2-one
CID 123293651

Frequently Asked Questions

What is the IUPAC name of ethane;4-propan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of ethane;4-propan-2-yl-1,3-oxazolidin-2-one (CID 143133628) is ethane;4-propan-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for ethane;4-propan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for ethane;4-propan-2-yl-1,3-oxazolidin-2-one is CC.CC(C)C1COC(=O)N1.
What is the InChIKey of ethane;4-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is RPUDDVGXIIRUPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2.C2H6/c1-4(2)5-3-9-6(8)7-5;1-2/h4-5H,3H2,1-2H3,(H,7,8);1-2H3.
What are the key properties of ethane;4-propan-2-yl-1,3-oxazolidin-2-one?
ethane;4-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 159.23 g/mol, XLogP of 1.78, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 143133628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).